(2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine

C15H29NO — CID 29259179

IUPAC(2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
SMILESCC(C)=CCC[C@H](C)NCCC[C@H]1CCOC1
InChIInChI=1S/C15H29NO/c1-13(2)6-4-7-14(3)16-10-5-8-15-9-11-17-12-15/h6,14-16H,4-5,7-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyWXWCRVKRXILBDY-GJZGRUSLSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds8

About (2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine

(2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine (PubChem CID 29259179) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine.

Molecular Properties

Compound Name(2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
PubChem CID29259179
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
SMILESCC(C)=CCC[C@H](C)NCCC[C@H]1CCOC1
InChIInChI=1S/C15H29NO/c1-13(2)6-4-7-14(3)16-10-5-8-15-9-11-17-12-15/h6,14-16H,4-5,7-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyWXWCRVKRXILBDY-GJZGRUSLSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-(2-methoxyethyl)-N-methylhex-4-en-1-amine
CID 89972891
4-methyl-N-[4-(oxan-4-ylidene)butyl]hexan-2-amine
CID 123759937
(2R)-2-[(Z)-3-amino-2-methylprop-1-enyl]-N-[(3S)-3-ethyl-6-(2-methylbutoxy)hexyl]cyclopropan-1-amine
CID 126694074
4-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine
CID 163511528
(2S)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259175
(2R)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259177
(2R)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259181
N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 43208618
(1,5-Dimethyl-4-hexen-1-yl)[3-(tetrahydro-3-furanyl)propyl]amine
CID 45930841
N-[5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine
CID 55077567
(1,5-Dimethyl-4-hexen-1-yl)[4-(tetrahydro-2-furanyl)butyl]amine trifluoroacetate
CID 56855161
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine?
The IUPAC name of (2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine (CID 29259179) is (2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine.
What is the SMILES notation for (2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine?
The canonical SMILES for (2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine is CC(C)=CCC[C@H](C)NCCC[C@H]1CCOC1.
What is the InChIKey of (2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine?
The InChIKey is WXWCRVKRXILBDY-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)6-4-7-14(3)16-10-5-8-15-9-11-17-12-15/h6,14-16H,4-5,7-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine?
(2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine is sourced from PubChem (CID 29259179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).