N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine

C19H38N2 — CID 155030327

IUPACN-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine
SMILES[H]/N=C(\CC(C)CCC)CC(C)(C)N(C)C(=C)CC(C)(C)C
InChIInChI=1S/C19H38N2/c1-10-11-15(2)12-17(20)14-19(7,8)21(9)16(3)13-18(4,5)6/h15,20H,3,10-14H2,1-2,4-9H3/b20-17+
InChIKeyAXMBAMVMCPNGTB-LVZFUZTISA-N
MW294.53 g/mol
LogP5.88
Rot. Bonds9

About N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine

N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine (PubChem CID 155030327) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine
PubChem CID155030327
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine
SMILES[H]/N=C(\CC(C)CCC)CC(C)(C)N(C)C(=C)CC(C)(C)C
InChIInChI=1S/C19H38N2/c1-10-11-15(2)12-17(20)14-19(7,8)21(9)16(3)13-18(4,5)6/h15,20H,3,10-14H2,1-2,4-9H3/b20-17+
InChIKeyAXMBAMVMCPNGTB-LVZFUZTISA-N
XLogP5.88
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine?
The IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine (CID 155030327) is N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine.
What is the SMILES notation for N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine?
The canonical SMILES for N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine is [H]/N=C(\CC(C)CCC)CC(C)(C)N(C)C(=C)CC(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine?
The InChIKey is AXMBAMVMCPNGTB-LVZFUZTISA-N. The full InChI is InChI=1S/C19H38N2/c1-10-11-15(2)12-17(20)14-19(7,8)21(9)16(3)13-18(4,5)6/h15,20H,3,10-14H2,1-2,4-9H3/b20-17+.
What are the key properties of N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine?
N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine has a molecular weight of 294.53 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-1-en-2-yl)-4-imino-N,2,6-trimethylnonan-2-amine is sourced from PubChem (CID 155030327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).