4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine

C18H40N2O — CID 18338938

IUPAC4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine
SMILESCC(C)CC(C)NCCCOCCCNC(C)CC(C)C
InChIInChI=1S/C18H40N2O/c1-15(2)13-17(5)19-9-7-11-21-12-8-10-20-18(6)14-16(3)4/h15-20H,7-14H2,1-6H3
InChIKeyTUJHIJMEDYWIJK-UHFFFAOYSA-N
MW300.53 g/mol
LogP3.83
Rot. Bonds14

About 4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine

4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine (PubChem CID 18338938) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine
PubChem CID18338938
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine
SMILESCC(C)CC(C)NCCCOCCCNC(C)CC(C)C
InChIInChI=1S/C18H40N2O/c1-15(2)13-17(5)19-9-7-11-21-12-8-10-20-18(6)14-16(3)4/h15-20H,7-14H2,1-6H3
InChIKeyTUJHIJMEDYWIJK-UHFFFAOYSA-N
XLogP3.83
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-2-amine
CID 61491008
4-methyl-N-[2-[2-(4-methylpentan-2-ylamino)ethoxy]ethyl]pentan-2-amine
CID 18338936
4-methyl-N-[3-[2-[2-[3-(4-methylpentan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]pentan-2-amine
CID 18338937
N-(3-methoxypropyl)-2-methylundecan-3-amine
CID 20518077
4-methyl-N-[3-(2-methylpropoxy)propyl]pentan-2-amine
CID 21355570
(3-Methoxypropyl)(4-methylpentan-2-yl)amine
CID 43205050
N-[3-(2-methylpropoxy)propyl]pentan-2-amine
CID 43205843
4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine
CID 43207477
N-(2-ethoxyethyl)-4-methylpentan-2-amine
CID 43457182
3-(4-methylpentoxy)-N-propan-2-ylpropan-1-amine
CID 61684723
N,N'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(4-methylpentan-2-amine)
CID 86720847
2-ethyl-N-[3-[3-(2-ethylhexylamino)propoxy]propyl]hexan-1-amine
CID 88796465

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine (CID 18338938) is 4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine is CC(C)CC(C)NCCCOCCCNC(C)CC(C)C.
What is the InChIKey of 4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine?
The InChIKey is TUJHIJMEDYWIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-15(2)13-17(5)19-9-7-11-21-12-8-10-20-18(6)14-16(3)4/h15-20H,7-14H2,1-6H3.
What are the key properties of 4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine?
4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine has a molecular weight of 300.53 g/mol, XLogP of 3.83, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[3-(4-methylpentan-2-ylamino)propoxy]propyl]pentan-2-amine is sourced from PubChem (CID 18338938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).