N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine

C30H70N4 — CID 144821519

IUPACN,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine
SMILESCC.CC(C)CCCC1CCN1.CC1CNC1.CCN(CC)CCC(C)C(C)C.CCNCC
InChIInChI=1S/C11H25N.C9H19N.C4H9N.C4H11N.C2H6/c1-6-12(7-2)9-8-11(5)10(3)4;1-8(2)4-3-5-9-6-7-10-9;1-4-2-5-3-4;1-3-5-4-2;1-2/h10-11H,6-9H2,1-5H3;8-10H,3-7H2,1-2H3;4-5H,2-3H2,1H3;5H,3-4H2,1-2H3;1-2H3
InChIKeyAVFFGPWKKMYYDS-UHFFFAOYSA-N
MW486.92 g/mol
LogP7.05
Rot. Bonds12

About N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine

N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine (PubChem CID 144821519) has the molecular formula C30H70N4 and a molecular weight of 486.92 g/mol. Its IUPAC name is N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine.

Molecular Properties

Compound NameN,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine
PubChem CID144821519
Molecular FormulaC30H70N4
Molecular Weight486.92 g/mol
Exact Mass486.56
IUPAC NameN,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine
SMILESCC.CC(C)CCCC1CCN1.CC1CNC1.CCN(CC)CCC(C)C(C)C.CCNCC
InChIInChI=1S/C11H25N.C9H19N.C4H9N.C4H11N.C2H6/c1-6-12(7-2)9-8-11(5)10(3)4;1-8(2)4-3-5-9-6-7-10-9;1-4-2-5-3-4;1-3-5-4-2;1-2/h10-11H,6-9H2,1-5H3;8-10H,3-7H2,1-2H3;4-5H,2-3H2,1H3;5H,3-4H2,1-2H3;1-2H3
InChIKeyAVFFGPWKKMYYDS-UHFFFAOYSA-N
XLogP7.05
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.92
LogP ≤ 57.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine?
The IUPAC name of N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine (CID 144821519) is N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine.
What is the SMILES notation for N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine?
The canonical SMILES for N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine is CC.CC(C)CCCC1CCN1.CC1CNC1.CCN(CC)CCC(C)C(C)C.CCNCC.
What is the InChIKey of N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine?
The InChIKey is AVFFGPWKKMYYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C9H19N.C4H9N.C4H11N.C2H6/c1-6-12(7-2)9-8-11(5)10(3)4;1-8(2)4-3-5-9-6-7-10-9;1-4-2-5-3-4;1-3-5-4-2;1-2/h10-11H,6-9H2,1-5H3;8-10H,3-7H2,1-2H3;4-5H,2-3H2,1H3;5H,3-4H2,1-2H3;1-2H3.
What are the key properties of N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine?
N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine has a molecular weight of 486.92 g/mol, XLogP of 7.05, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,4-dimethylpentan-1-amine;ethane;N-ethylethanamine;3-methylazetidine;2-(4-methylpentyl)azetidine is sourced from PubChem (CID 144821519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).