N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine

C16H37N3 — CID 55072277

IUPACN-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
SMILESCCCN(CCCCCNC(C)(C)C)CCN(C)C
InChIInChI=1S/C16H37N3/c1-7-12-19(15-14-18(5)6)13-10-8-9-11-17-16(2,3)4/h17H,7-15H2,1-6H3
InChIKeyNOJJOWACGQPUOQ-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.82
Rot. Bonds11

About N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine

N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine (PubChem CID 55072277) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
PubChem CID55072277
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC NameN-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
SMILESCCCN(CCCCCNC(C)(C)C)CCN(C)C
InChIInChI=1S/C16H37N3/c1-7-12-19(15-14-18(5)6)13-10-8-9-11-17-16(2,3)4/h17H,7-15H2,1-6H3
InChIKeyNOJJOWACGQPUOQ-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N',N'-dipropylpropane-1,3-diamine
CID 60851501
N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
CID 62422518
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
CID 62436376
5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol
CID 62228988
1-N-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-propylpentane-1,4-diamine
CID 62436896
N-tert-butylnonadecan-1-amine
CID 87846739
N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62425905
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine
CID 62440076
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62261000
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine?
The IUPAC name of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine (CID 55072277) is N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine.
What is the SMILES notation for N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine?
The canonical SMILES for N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine is CCCN(CCCCCNC(C)(C)C)CCN(C)C.
What is the InChIKey of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine?
The InChIKey is NOJJOWACGQPUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-7-12-19(15-14-18(5)6)13-10-8-9-11-17-16(2,3)4/h17H,7-15H2,1-6H3.
What are the key properties of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine?
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.82, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine is sourced from PubChem (CID 55072277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).