N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine

C12H23NO — CID 105003891

IUPACN,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine
SMILESC=C(C)CC(CCC1CCCO1)NC
InChIInChI=1S/C12H23NO/c1-10(2)9-11(13-3)6-7-12-5-4-8-14-12/h11-13H,1,4-9H2,2-3H3
InChIKeyLOIHDYJCPUQRTI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

About N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine

N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine (PubChem CID 105003891) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine
PubChem CID105003891
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine
SMILESC=C(C)CC(CCC1CCCO1)NC
InChIInChI=1S/C12H23NO/c1-10(2)9-11(13-3)6-7-12-5-4-8-14-12/h11-13H,1,4-9H2,2-3H3
InChIKeyLOIHDYJCPUQRTI-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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

4-(3-Methylidenepyrrolidin-2-yl)butan-2-ol
CID 91535218
N-methyl-3-(8-methylidenedecan-4-yloxy)cyclobutan-1-amine
CID 139356726
4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine
CID 166831256
(1,5-Dimethyl-4-hexen-1-yl)[4-(tetrahydro-2-furanyl)butyl]amine trifluoroacetate
CID 56855161
N-methyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 61380669
N-ethyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 61380670
1-(oxolan-2-yl)-N-propylpent-4-en-2-amine
CID 61380681
1-(cyclopenten-1-yl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953544
1-(cyclopenten-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 63953545
N-methyl-1-(oxolan-2-yl)hept-6-en-2-amine
CID 64297423
N-methyl-1-(oxolan-2-yl)hex-5-en-2-amine
CID 64297424
N-ethyl-1-(oxolan-2-yl)hept-6-en-2-amine
CID 64297425

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine?
The IUPAC name of N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine (CID 105003891) is N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine.
What is the SMILES notation for N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine?
The canonical SMILES for N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine is C=C(C)CC(CCC1CCCO1)NC.
What is the InChIKey of N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine?
The InChIKey is LOIHDYJCPUQRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)9-11(13-3)6-7-12-5-4-8-14-12/h11-13H,1,4-9H2,2-3H3.
What are the key properties of N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine?
N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine is sourced from PubChem (CID 105003891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).