N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine

C18H43N5 — CID 87768020

IUPACN'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESCCC(C)CNCCNCCNCCNCCNCC(C)CC
InChIInChI=1S/C18H43N5/c1-5-17(3)15-22-13-11-20-9-7-19-8-10-21-12-14-23-16-18(4)6-2/h17-23H,5-16H2,1-4H3
InChIKeyYLWWWKSMIQPGCP-UHFFFAOYSA-N
MW329.58 g/mol
LogP1.03
Rot. Bonds18

About N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine

N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 87768020) has the molecular formula C18H43N5 and a molecular weight of 329.58 g/mol. Its IUPAC name is N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID87768020
Molecular FormulaC18H43N5
Molecular Weight329.58 g/mol
Exact Mass329.35
IUPAC NameN'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESCCC(C)CNCCNCCNCCNCCNCC(C)CC
InChIInChI=1S/C18H43N5/c1-5-17(3)15-22-13-11-20-9-7-19-8-10-21-12-14-23-16-18(4)6-2/h17-23H,5-16H2,1-4H3
InChIKeyYLWWWKSMIQPGCP-UHFFFAOYSA-N
XLogP1.03
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 51.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
2-(2-methylbutylamino)ethylurea
CID 83109541
4-methyl-1-(2-methylbutylamino)pentan-3-ol
CID 115887689
1-(2-methylbutylamino)pentan-3-ol
CID 115887931
5-(2-methylbutylamino)pentan-2-ol
CID 107267802
3-methyl-N-(2-methylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904680
(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
CID 59084986
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylbutan-1-amine
CID 104562209
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
CID 97095660
N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine
CID 116679937
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-2-methylbutan-1-amine;molecular hydrogen
CID 156794535

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine (CID 87768020) is N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine is CCC(C)CNCCNCCNCCNCCNCC(C)CC.
What is the InChIKey of N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is YLWWWKSMIQPGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H43N5/c1-5-17(3)15-22-13-11-20-9-7-19-8-10-21-12-14-23-16-18(4)6-2/h17-23H,5-16H2,1-4H3.
What are the key properties of N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 329.58 g/mol, XLogP of 1.03, 18 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 87768020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).