N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine

C17H41N5 — CID 159126034

IUPACN'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine
SMILESCCCCNC1CC(C)(C)N(C)C(C)(C)C1.NCCNCN
InChIInChI=1S/C14H30N2.C3H11N3/c1-7-8-9-15-12-10-13(2,3)16(6)14(4,5)11-12;4-1-2-6-3-5/h12,15H,7-11H2,1-6H3;6H,1-5H2
InChIKeyKGHANDCUROPTHP-UHFFFAOYSA-N
MW315.55 g/mol
LogP1.48
Rot. Bonds7

About N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine

N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine (PubChem CID 159126034) has the molecular formula C17H41N5 and a molecular weight of 315.55 g/mol. Its IUPAC name is N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine.

Molecular Properties

Compound NameN'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine
PubChem CID159126034
Molecular FormulaC17H41N5
Molecular Weight315.55 g/mol
Exact Mass315.34
IUPAC NameN'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine
SMILESCCCCNC1CC(C)(C)N(C)C(C)(C)C1.NCCNCN
InChIInChI=1S/C14H30N2.C3H11N3/c1-7-8-9-15-12-10-13(2,3)16(6)14(4,5)11-12;4-1-2-6-3-5/h12,15H,7-11H2,1-6H3;6H,1-5H2
InChIKeyKGHANDCUROPTHP-UHFFFAOYSA-N
XLogP1.48
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine
CID 174683339
N-[3-[[dimethoxy-[3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propyl]silyl]oxy-dimethoxysilyl]propyl]-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 177305282
CID 101119102
CID 101119102
1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
CID 141204239
N'-[2-[2-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 67692079
1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol
CID 174411658
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 68740612
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
CID 141252974
N-butyl-1-[6-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]-2-chloropyrimidin-4-yl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 87932442
N-hexyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine
CID 173322725
N-butyl-2,2-dimethylcyclopropan-1-amine
CID 61223200

Frequently Asked Questions

What is the IUPAC name of N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine?
The IUPAC name of N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine (CID 159126034) is N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine.
What is the SMILES notation for N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine?
The canonical SMILES for N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine is CCCCNC1CC(C)(C)N(C)C(C)(C)C1.NCCNCN.
What is the InChIKey of N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine?
The InChIKey is KGHANDCUROPTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2.C3H11N3/c1-7-8-9-15-12-10-13(2,3)16(6)14(4,5)11-12;4-1-2-6-3-5/h12,15H,7-11H2,1-6H3;6H,1-5H2.
What are the key properties of N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine?
N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine has a molecular weight of 315.55 g/mol, XLogP of 1.48, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine is sourced from PubChem (CID 159126034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).