N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine

C11H27N3 — CID 150003267

IUPACN-(butylamino)-2-methyl-N-(propylamino)propan-1-amine
SMILESCCCCNN(CC(C)C)NCCC
InChIInChI=1S/C11H27N3/c1-5-7-9-13-14(10-11(3)4)12-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeyDBTBUPPENDTDKN-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.16
Rot. Bonds9

About N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine

N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine (PubChem CID 150003267) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine.

Molecular Properties

Compound NameN-(butylamino)-2-methyl-N-(propylamino)propan-1-amine
PubChem CID150003267
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN-(butylamino)-2-methyl-N-(propylamino)propan-1-amine
SMILESCCCCNN(CC(C)C)NCCC
InChIInChI=1S/C11H27N3/c1-5-7-9-13-14(10-11(3)4)12-8-6-2/h11-13H,5-10H2,1-4H3
InChIKeyDBTBUPPENDTDKN-UHFFFAOYSA-N
XLogP2.16
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62570630
1-butyl-2-ethyl-1-(2-methylpropyl)hydrazine
CID 174421930
N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575437
N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555882
N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine
CID 57148222
1-ethyl-1-propan-2-yl-2-propylhydrazine
CID 54518822
N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine
CID 150318473
3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 55073718
9-methyl-N-propyldecan-5-amine
CID 83162126
N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine
CID 62421110
methyl N-butyl-N-(2-methylpropyl)carbamate
CID 170640282
4-N-cyclopropyl-4-N-(2-methylpropyl)-1-N-propylpentane-1,4-diamine
CID 55073987

Frequently Asked Questions

What is the IUPAC name of N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine?
The IUPAC name of N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine (CID 150003267) is N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine.
What is the SMILES notation for N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine?
The canonical SMILES for N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine is CCCCNN(CC(C)C)NCCC.
What is the InChIKey of N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine?
The InChIKey is DBTBUPPENDTDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-5-7-9-13-14(10-11(3)4)12-8-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine?
N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine has a molecular weight of 201.36 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine is sourced from PubChem (CID 150003267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).