N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine

C21H41N — CID 167152464

IUPACN,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine
SMILESC=C(C(C)C)C(C)N(C)CC(C)(CC=CCCCC)CCC
InChIInChI=1S/C21H41N/c1-9-11-12-13-14-16-21(7,15-10-2)17-22(8)20(6)19(5)18(3)4/h13-14,18,20H,5,9-12,15-17H2,1-4,6-8H3
InChIKeyABNHSAMVAXRCAK-UHFFFAOYSA-N
MW307.57 g/mol
LogP6.46
Rot. Bonds12

About N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine

N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine (PubChem CID 167152464) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine
PubChem CID167152464
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC NameN,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine
SMILESC=C(C(C)C)C(C)N(C)CC(C)(CC=CCCCC)CCC
InChIInChI=1S/C21H41N/c1-9-11-12-13-14-16-21(7,15-10-2)17-22(8)20(6)19(5)18(3)4/h13-14,18,20H,5,9-12,15-17H2,1-4,6-8H3
InChIKeyABNHSAMVAXRCAK-UHFFFAOYSA-N
XLogP6.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine?
The IUPAC name of N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine (CID 167152464) is N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine is C=C(C(C)C)C(C)N(C)CC(C)(CC=CCCCC)CCC.
What is the InChIKey of N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine?
The InChIKey is ABNHSAMVAXRCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N/c1-9-11-12-13-14-16-21(7,15-10-2)17-22(8)20(6)19(5)18(3)4/h13-14,18,20H,5,9-12,15-17H2,1-4,6-8H3.
What are the key properties of N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine?
N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine has a molecular weight of 307.57 g/mol, XLogP of 6.46, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methyl-3-methylidenepentan-2-yl)-2-propylnon-4-en-1-amine is sourced from PubChem (CID 167152464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).