5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine

C16H35NO — CID 163400443

IUPAC5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
SMILESCC(C)CCCCNCCCOCCCC(C)C
InChIInChI=1S/C16H35NO/c1-15(2)9-5-6-11-17-12-8-14-18-13-7-10-16(3)4/h15-17H,5-14H2,1-4H3
InChIKeyLYHBUHBLEPGJNK-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.25
Rot. Bonds13

About 5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine

5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine (PubChem CID 163400443) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
PubChem CID163400443
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
SMILESCC(C)CCCCNCCCOCCCC(C)C
InChIInChI=1S/C16H35NO/c1-15(2)9-5-6-11-17-12-8-14-18-13-7-10-16(3)4/h15-17H,5-14H2,1-4H3
InChIKeyLYHBUHBLEPGJNK-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
3-(4-methylpentoxy)-N-prop-2-enylpropan-1-amine
CID 164556992
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
N-[3-(4-methylpentoxy)propyl]formamide
CID 167156422
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
2-methyl-N-[3-[3-(4-methylpentoxy)propoxy]propyl]propan-1-amine;molecular hydrogen
CID 158253210
4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine
CID 57194554
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine?
The IUPAC name of 5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine (CID 163400443) is 5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine.
What is the SMILES notation for 5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine?
The canonical SMILES for 5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine is CC(C)CCCCNCCCOCCCC(C)C.
What is the InChIKey of 5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine?
The InChIKey is LYHBUHBLEPGJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-15(2)9-5-6-11-17-12-8-14-18-13-7-10-16(3)4/h15-17H,5-14H2,1-4H3.
What are the key properties of 5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine?
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.25, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine is sourced from PubChem (CID 163400443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).