(3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine

C17H35N — CID 163432884

IUPAC(3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine
SMILESC=C(CCC)N[C@H](CC)CCC(CC)C(C)(C)C
InChIInChI=1S/C17H35N/c1-8-11-14(4)18-16(10-3)13-12-15(9-2)17(5,6)7/h15-16,18H,4,8-13H2,1-3,5-7H3/t15?,16-/m1/s1
InChIKeyARZZPQUGNKDAEW-OEMAIJDKSA-N
MW253.47 g/mol
LogP5.52
Rot. Bonds9

About (3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine

(3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine (PubChem CID 163432884) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is (3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine.

Molecular Properties

Compound Name(3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine
PubChem CID163432884
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name(3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine
SMILESC=C(CCC)N[C@H](CC)CCC(CC)C(C)(C)C
InChIInChI=1S/C17H35N/c1-8-11-14(4)18-16(10-3)13-12-15(9-2)17(5,6)7/h15-16,18H,4,8-13H2,1-3,5-7H3/t15?,16-/m1/s1
InChIKeyARZZPQUGNKDAEW-OEMAIJDKSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine?
The IUPAC name of (3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine (CID 163432884) is (3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine.
What is the SMILES notation for (3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine?
The canonical SMILES for (3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine is C=C(CCC)N[C@H](CC)CCC(CC)C(C)(C)C.
What is the InChIKey of (3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine?
The InChIKey is ARZZPQUGNKDAEW-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H35N/c1-8-11-14(4)18-16(10-3)13-12-15(9-2)17(5,6)7/h15-16,18H,4,8-13H2,1-3,5-7H3/t15?,16-/m1/s1.
What are the key properties of (3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine?
(3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine has a molecular weight of 253.47 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-ethyl-7,7-dimethyl-N-pent-1-en-2-yloctan-3-amine is sourced from PubChem (CID 163432884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).