N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine

C16H37N3 — CID 62425913

IUPACN'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine
SMILESCC(C)CN(CCCCCNC(C)C)CCN(C)C
InChIInChI=1S/C16H37N3/c1-15(2)14-19(13-12-18(5)6)11-9-7-8-10-17-16(3)4/h15-17H,7-14H2,1-6H3
InChIKeyNUXSHDWCAJONOT-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.67
Rot. Bonds12

About N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine

N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine (PubChem CID 62425913) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine
PubChem CID62425913
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC NameN'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine
SMILESCC(C)CN(CCCCCNC(C)C)CCN(C)C
InChIInChI=1S/C16H37N3/c1-15(2)14-19(13-12-18(5)6)11-9-7-8-10-17-16(3)4/h15-17H,7-14H2,1-6H3
InChIKeyNUXSHDWCAJONOT-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.67
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'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 62426095
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268
N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 107871319
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 63694492
N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
CID 79492004
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 55089675
N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 140903513
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
N'-[2-(dimethylamino)ethyl]-N-heptan-2-yl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555157
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pentanethioamide
CID 55011429

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine (CID 62425913) is N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine is CC(C)CN(CCCCCNC(C)C)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine?
The InChIKey is NUXSHDWCAJONOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-15(2)14-19(13-12-18(5)6)11-9-7-8-10-17-16(3)4/h15-17H,7-14H2,1-6H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine?
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.67, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 62425913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).