6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide

C15H30N2O — CID 65291353

IUPAC6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide
SMILESCC(N)CCCC(C)C(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)17(10-14-8-9-14)15(18)12(3)6-5-7-13(4)16/h11-14H,5-10,16H2,1-4H3
InChIKeyCTQCCPIOCVHPOL-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.79
Rot. Bonds8

About 6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide

6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide (PubChem CID 65291353) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide.

Molecular Properties

Compound Name6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide
PubChem CID65291353
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide
SMILESCC(N)CCCC(C)C(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C15H30N2O/c1-11(2)17(10-14-8-9-14)15(18)12(3)6-5-7-13(4)16/h11-14H,5-10,16H2,1-4H3
InChIKeyCTQCCPIOCVHPOL-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide?
The IUPAC name of 6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide (CID 65291353) is 6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide.
What is the SMILES notation for 6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide?
The canonical SMILES for 6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide is CC(N)CCCC(C)C(=O)N(CC1CC1)C(C)C.
What is the InChIKey of 6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide?
The InChIKey is CTQCCPIOCVHPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(2)17(10-14-8-9-14)15(18)12(3)6-5-7-13(4)16/h11-14H,5-10,16H2,1-4H3.
What are the key properties of 6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide?
6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide has a molecular weight of 254.42 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylheptanamide is sourced from PubChem (CID 65291353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).