N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine

C15H29N — CID 134187667

IUPACN-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine
SMILESC=C(CC(C)C)NC(C)C(C)[C@H]1CC1(C)C
InChIInChI=1S/C15H29N/c1-10(2)8-11(3)16-13(5)12(4)14-9-15(14,6)7/h10,12-14,16H,3,8-9H2,1-2,4-7H3/t12?,13?,14-/m1/s1
InChIKeyKTOHIXAMCLUOFO-JXQTWKCFSA-N
MW223.40 g/mol
LogP4.21
Rot. Bonds6

About N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine

N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine (PubChem CID 134187667) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine.

Molecular Properties

Compound NameN-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine
PubChem CID134187667
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine
SMILESC=C(CC(C)C)NC(C)C(C)[C@H]1CC1(C)C
InChIInChI=1S/C15H29N/c1-10(2)8-11(3)16-13(5)12(4)14-9-15(14,6)7/h10,12-14,16H,3,8-9H2,1-2,4-7H3/t12?,13?,14-/m1/s1
InChIKeyKTOHIXAMCLUOFO-JXQTWKCFSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine?
The IUPAC name of N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine (CID 134187667) is N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine.
What is the SMILES notation for N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine?
The canonical SMILES for N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine is C=C(CC(C)C)NC(C)C(C)[C@H]1CC1(C)C.
What is the InChIKey of N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine?
The InChIKey is KTOHIXAMCLUOFO-JXQTWKCFSA-N. The full InChI is InChI=1S/C15H29N/c1-10(2)8-11(3)16-13(5)12(4)14-9-15(14,6)7/h10,12-14,16H,3,8-9H2,1-2,4-7H3/t12?,13?,14-/m1/s1.
What are the key properties of N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine?
N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine has a molecular weight of 223.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-2,2-dimethylcyclopropyl]butan-2-yl]-4-methylpent-1-en-2-amine is sourced from PubChem (CID 134187667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).