N-pent-4-en-2-yloxepan-4-amine

C11H21NO — CID 115890446

IUPACN-pent-4-en-2-yloxepan-4-amine
SMILESC=CCC(C)NC1CCCOCC1
InChIInChI=1S/C11H21NO/c1-3-5-10(2)12-11-6-4-8-13-9-7-11/h3,10-12H,1,4-9H2,2H3
InChIKeyHBMDFQKWHKUUMC-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About N-pent-4-en-2-yloxepan-4-amine

N-pent-4-en-2-yloxepan-4-amine (PubChem CID 115890446) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-pent-4-en-2-yloxepan-4-amine.

Molecular Properties

Compound NameN-pent-4-en-2-yloxepan-4-amine
PubChem CID115890446
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-pent-4-en-2-yloxepan-4-amine
SMILESC=CCC(C)NC1CCCOCC1
InChIInChI=1S/C11H21NO/c1-3-5-10(2)12-11-6-4-8-13-9-7-11/h3,10-12H,1,4-9H2,2H3
InChIKeyHBMDFQKWHKUUMC-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-en-2-yloxan-4-amine
CID 104581845
N-[1-(oxan-4-yl)propan-2-yl]cyclopentanamine
CID 115704973
N-(1-cyclopropylpropan-2-yl)oxan-4-amine
CID 63989117
N-(oxan-4-ylmethyl)pent-4-en-2-amine
CID 115685663
N-[1-(oxan-4-yl)ethyl]pent-4-en-2-amine
CID 115890310
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
3-methyl-2-(oxepan-4-ylamino)butan-1-ol
CID 79254168
4-methyl-3-(oxepan-4-ylamino)pentan-1-ol
CID 103894941
N-pent-4-en-2-yl-1-phenylpiperidin-4-amine
CID 103902346
tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
CID 107248450
3-(cyclohexylamino)butanal
CID 163514987
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828

Frequently Asked Questions

What is the IUPAC name of N-pent-4-en-2-yloxepan-4-amine?
The IUPAC name of N-pent-4-en-2-yloxepan-4-amine (CID 115890446) is N-pent-4-en-2-yloxepan-4-amine.
What is the SMILES notation for N-pent-4-en-2-yloxepan-4-amine?
The canonical SMILES for N-pent-4-en-2-yloxepan-4-amine is C=CCC(C)NC1CCCOCC1.
What is the InChIKey of N-pent-4-en-2-yloxepan-4-amine?
The InChIKey is HBMDFQKWHKUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-10(2)12-11-6-4-8-13-9-7-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-pent-4-en-2-yloxepan-4-amine?
N-pent-4-en-2-yloxepan-4-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-yloxepan-4-amine is sourced from PubChem (CID 115890446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).