N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine

C19H37N3 — CID 123688446

IUPACN-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine
SMILESCCNCC/N=C/C(C)NC(C=C(C)C)CCC=C(C)CC
InChIInChI=1S/C19H37N3/c1-7-17(5)10-9-11-19(14-16(3)4)22-18(6)15-21-13-12-20-8-2/h10,14-15,18-20,22H,7-9,11-13H2,1-6H3/b17-10?,21-15+
InChIKeyBLCUPYRPVMCYJC-FJLGTMEZSA-N
MW307.53 g/mol
LogP4.12
Rot. Bonds12

About N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine

N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine (PubChem CID 123688446) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine.

Molecular Properties

Compound NameN-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine
PubChem CID123688446
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC NameN-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine
SMILESCCNCC/N=C/C(C)NC(C=C(C)C)CCC=C(C)CC
InChIInChI=1S/C19H37N3/c1-7-17(5)10-9-11-19(14-16(3)4)22-18(6)15-21-13-12-20-8-2/h10,14-15,18-20,22H,7-9,11-13H2,1-6H3/b17-10?,21-15+
InChIKeyBLCUPYRPVMCYJC-FJLGTMEZSA-N
XLogP4.12
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
3,4,6,7,8,8a-Hexahydro-1,7-naphthyridine
CID 91072702
N'-(3-methyl-5-methyliminopent-3-en-2-yl)ethane-1,2-diamine
CID 123781675
(3S)-N-(2-iminoethyl)-5-methylhex-4-en-3-amine
CID 130320077
(4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine
CID 138528196
(2E,7Z)-N-ethyl-3-methyl-6-methylidene-5-(2-methylpropylideneamino)nona-2,7-dien-4-amine
CID 139519521
N-butylazetidin-3-amine;ethane;4-methyl-2,3-dihydropyridine
CID 145648950
[(E)-1-(2-prop-1-en-2-yl-1,2,3,6-tetrahydropyrazin-3-yl)prop-1-en-2-yl]-dipropylphosphane
CID 156123400
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]propan-2-amine
CID 156187529
N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine
CID 166901468
2-N-butyl-3-N-[(E)-3-(2-iminoethyl)-2-methylhex-2-enyl]-3-N-methylpentane-2,3-diamine
CID 169836552
(Z)-3-methyl-N-(3-methyliminopropyl)pent-3-en-2-amine
CID 174270836

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine?
The IUPAC name of N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine (CID 123688446) is N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine.
What is the SMILES notation for N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine?
The canonical SMILES for N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine is CCNCC/N=C/C(C)NC(C=C(C)C)CCC=C(C)CC.
What is the InChIKey of N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine?
The InChIKey is BLCUPYRPVMCYJC-FJLGTMEZSA-N. The full InChI is InChI=1S/C19H37N3/c1-7-17(5)10-9-11-19(14-16(3)4)22-18(6)15-21-13-12-20-8-2/h10,14-15,18-20,22H,7-9,11-13H2,1-6H3/b17-10?,21-15+.
What are the key properties of N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine?
N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine has a molecular weight of 307.53 g/mol, XLogP of 4.12, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(ethylamino)ethylimino]propan-2-yl]-2,8-dimethyldeca-2,7-dien-4-amine is sourced from PubChem (CID 123688446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).