1-(oxan-4-yl)heptan-2-amine

C12H25NO — CID 115846998

IUPAC1-(oxan-4-yl)heptan-2-amine
SMILESCCCCCC(N)CC1CCOCC1
InChIInChI=1S/C12H25NO/c1-2-3-4-5-12(13)10-11-6-8-14-9-7-11/h11-12H,2-10,13H2,1H3
InChIKeyIVZIAMJRFQKDSR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds6

About 1-(oxan-4-yl)heptan-2-amine

1-(oxan-4-yl)heptan-2-amine (PubChem CID 115846998) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(oxan-4-yl)heptan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)heptan-2-amine
PubChem CID115846998
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(oxan-4-yl)heptan-2-amine
SMILESCCCCCC(N)CC1CCOCC1
InChIInChI=1S/C12H25NO/c1-2-3-4-5-12(13)10-11-6-8-14-9-7-11/h11-12H,2-10,13H2,1H3
InChIKeyIVZIAMJRFQKDSR-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
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-cyclopentyldecan-2-amine
CID 115835607
1-cycloheptylheptan-2-amine
CID 115837607
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
1-(thian-4-yl)dodecan-2-amine
CID 105138170
1-(oxan-4-yl)undecan-5-ol
CID 114191725
1-cyclopropylpentan-2-amine
CID 64905685
5-ethylsulfonyl-1-(oxolan-3-yl)pentan-2-amine
CID 103986638
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 115846799
N-methyl-1-(oxan-4-yl)hexan-2-amine
CID 79404472
1-(1,1-dioxothiolan-3-yl)dodecan-2-amine
CID 105138148
1-(oxolan-3-yl)non-8-en-2-amine
CID 107009635

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)heptan-2-amine?
The IUPAC name of 1-(oxan-4-yl)heptan-2-amine (CID 115846998) is 1-(oxan-4-yl)heptan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)heptan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)heptan-2-amine is CCCCCC(N)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)heptan-2-amine?
The InChIKey is IVZIAMJRFQKDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-5-12(13)10-11-6-8-14-9-7-11/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-(oxan-4-yl)heptan-2-amine?
1-(oxan-4-yl)heptan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)heptan-2-amine is sourced from PubChem (CID 115846998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).