(1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine

C14H27N — CID 126581092

IUPAC(1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine
SMILESC=C(C)CCC(CCC)[C@H](N)C1(C)CC1
InChIInChI=1S/C14H27N/c1-5-6-12(8-7-11(2)3)13(15)14(4)9-10-14/h12-13H,2,5-10,15H2,1,3-4H3/t12?,13-/m0/s1
InChIKeyKHXKUDPNHRTVLF-ABLWVSNPSA-N
MW209.38 g/mol
LogP3.89
Rot. Bonds7

About (1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine

(1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine (PubChem CID 126581092) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine.

Molecular Properties

Compound Name(1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine
PubChem CID126581092
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine
SMILESC=C(C)CCC(CCC)[C@H](N)C1(C)CC1
InChIInChI=1S/C14H27N/c1-5-6-12(8-7-11(2)3)13(15)14(4)9-10-14/h12-13H,2,5-10,15H2,1,3-4H3/t12?,13-/m0/s1
InChIKeyKHXKUDPNHRTVLF-ABLWVSNPSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine?
The IUPAC name of (1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine (CID 126581092) is (1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine.
What is the SMILES notation for (1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine?
The canonical SMILES for (1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine is C=C(C)CCC(CCC)[C@H](N)C1(C)CC1.
What is the InChIKey of (1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine?
The InChIKey is KHXKUDPNHRTVLF-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H27N/c1-5-6-12(8-7-11(2)3)13(15)14(4)9-10-14/h12-13H,2,5-10,15H2,1,3-4H3/t12?,13-/m0/s1.
What are the key properties of (1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine?
(1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methyl-1-(1-methylcyclopropyl)-2-propylhex-5-en-1-amine is sourced from PubChem (CID 126581092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).