2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine

C12H30N4 — CID 173121214

IUPAC2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine
SMILESCCCNN(NCCNC(C)C)C(C)(C)C
InChIInChI=1S/C12H30N4/c1-7-8-14-16(12(4,5)6)15-10-9-13-11(2)3/h11,13-15H,7-10H2,1-6H3
InChIKeyRMNAWXUFFBYYGE-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.50
Rot. Bonds8

About 2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine

2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine (PubChem CID 173121214) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine
PubChem CID173121214
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Name2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine
SMILESCCCNN(NCCNC(C)C)C(C)(C)C
InChIInChI=1S/C12H30N4/c1-7-8-14-16(12(4,5)6)15-10-9-13-11(2)3/h11,13-15H,7-10H2,1-6H3
InChIKeyRMNAWXUFFBYYGE-UHFFFAOYSA-N
XLogP1.50
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

methanamine;N-propan-2-ylpropan-1-amine
CID 156646096
1-N'-ethyl-1-N,2-dimethyl-2-N-(propan-2-ylamino)-2-N-(propylamino)propane-1,1,2-triamine
CID 141048663
N-propan-2-ylbutan-1-amine chloride
CID 19629099
N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine
CID 155616242
N-propan-2-ylicosan-1-amine
CID 87246132
3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane
CID 161005909
N-ethyl-N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 126619829
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
1-ethyl-1-propan-2-yl-2-propylhydrazine
CID 54518822
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79064609
N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane
CID 158948159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine (CID 173121214) is 2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine is CCCNN(NCCNC(C)C)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine?
The InChIKey is RMNAWXUFFBYYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-7-8-14-16(12(4,5)6)15-10-9-13-11(2)3/h11,13-15H,7-10H2,1-6H3.
What are the key properties of 2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine?
2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine has a molecular weight of 230.40 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(propan-2-ylamino)ethylamino]-N-(propylamino)propan-2-amine is sourced from PubChem (CID 173121214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).