(4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine

C19H40N2 — CID 155323803

IUPAC(4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine
SMILESCCC(C(CN(C)[C@@H](C)/C=C\[C@@H](C)CC)C(C)C)[C@@H](C)N
InChIInChI=1S/C19H40N2/c1-9-15(5)11-12-16(6)21(8)13-19(14(3)4)18(10-2)17(7)20/h11-12,14-19H,9-10,13,20H2,1-8H3/b12-11-/t15-,16-,17+,18?,19?/m0/s1
InChIKeyZOKKVXWXUOTUTL-MLHVDZBWSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds10

About (4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine

(4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine (PubChem CID 155323803) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is (4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name(4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine
PubChem CID155323803
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name(4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine
SMILESCCC(C(CN(C)[C@@H](C)/C=C\[C@@H](C)CC)C(C)C)[C@@H](C)N
InChIInChI=1S/C19H40N2/c1-9-15(5)11-12-16(6)21(8)13-19(14(3)4)18(10-2)17(7)20/h11-12,14-19H,9-10,13,20H2,1-8H3/b12-11-/t15-,16-,17+,18?,19?/m0/s1
InChIKeyZOKKVXWXUOTUTL-MLHVDZBWSA-N
XLogP4.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine?
The IUPAC name of (4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine (CID 155323803) is (4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for (4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for (4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine is CCC(C(CN(C)[C@@H](C)/C=C\[C@@H](C)CC)C(C)C)[C@@H](C)N.
What is the InChIKey of (4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine?
The InChIKey is ZOKKVXWXUOTUTL-MLHVDZBWSA-N. The full InChI is InChI=1S/C19H40N2/c1-9-15(5)11-12-16(6)21(8)13-19(14(3)4)18(10-2)17(7)20/h11-12,14-19H,9-10,13,20H2,1-8H3/b12-11-/t15-,16-,17+,18?,19?/m0/s1.
What are the key properties of (4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine?
(4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-ethyl-1-N-methyl-1-N-[(Z,2S,5S)-5-methylhept-3-en-2-yl]-2-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 155323803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).