1-(1-methoxycycloheptyl)hexan-1-amine

C14H29NO — CID 116769766

IUPAC1-(1-methoxycycloheptyl)hexan-1-amine
SMILESCCCCCC(N)C1(OC)CCCCCC1
InChIInChI=1S/C14H29NO/c1-3-4-7-10-13(15)14(16-2)11-8-5-6-9-12-14/h13H,3-12,15H2,1-2H3
InChIKeyWBFIKHBBTUNAQN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.63
Rot. Bonds6

About 1-(1-methoxycycloheptyl)hexan-1-amine

1-(1-methoxycycloheptyl)hexan-1-amine (PubChem CID 116769766) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)hexan-1-amine.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)hexan-1-amine
PubChem CID116769766
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(1-methoxycycloheptyl)hexan-1-amine
SMILESCCCCCC(N)C1(OC)CCCCCC1
InChIInChI=1S/C14H29NO/c1-3-4-7-10-13(15)14(16-2)11-8-5-6-9-12-14/h13H,3-12,15H2,1-2H3
InChIKeyWBFIKHBBTUNAQN-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.63
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

1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613
1-(1-methoxycyclopentyl)heptan-1-amine
CID 104610578
1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766098
1-(1-methoxycyclohexyl)hexylhydrazine
CID 105276130
1-(1-methoxycycloheptyl)hex-5-yn-1-amine
CID 116769884
1-(1-methoxycycloheptyl)heptylhydrazine
CID 105278282
1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine
CID 104610727
3-cyclopropyl-1-(1-methoxycyclohexyl)propan-1-amine
CID 116762659
4-methoxy-1-(1-methoxycyclohexyl)-4-methylpentan-1-amine
CID 103036106
1-(1-methoxycyclobutyl)heptylhydrazine
CID 105270416

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)hexan-1-amine?
The IUPAC name of 1-(1-methoxycycloheptyl)hexan-1-amine (CID 116769766) is 1-(1-methoxycycloheptyl)hexan-1-amine.
What is the SMILES notation for 1-(1-methoxycycloheptyl)hexan-1-amine?
The canonical SMILES for 1-(1-methoxycycloheptyl)hexan-1-amine is CCCCCC(N)C1(OC)CCCCCC1.
What is the InChIKey of 1-(1-methoxycycloheptyl)hexan-1-amine?
The InChIKey is WBFIKHBBTUNAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-4-7-10-13(15)14(16-2)11-8-5-6-9-12-14/h13H,3-12,15H2,1-2H3.
What are the key properties of 1-(1-methoxycycloheptyl)hexan-1-amine?
1-(1-methoxycycloheptyl)hexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycycloheptyl)hexan-1-amine is sourced from PubChem (CID 116769766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).