(Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine

C13H26N2 — CID 137384996

IUPAC(Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine
SMILESCC/C=C(/CCC)N[C@@H](CC)/C(C)=C\N
InChIInChI=1S/C13H26N2/c1-5-8-12(9-6-2)15-13(7-3)11(4)10-14/h8,10,13,15H,5-7,9,14H2,1-4H3/b11-10-,12-8-/t13-/m0/s1
InChIKeyUDJHVRIOQPLELP-SQPSOSRSSA-N
MW210.36 g/mol
LogP3.31
Rot. Bonds7

About (Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine

(Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine (PubChem CID 137384996) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine
PubChem CID137384996
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine
SMILESCC/C=C(/CCC)N[C@@H](CC)/C(C)=C\N
InChIInChI=1S/C13H26N2/c1-5-8-12(9-6-2)15-13(7-3)11(4)10-14/h8,10,13,15H,5-7,9,14H2,1-4H3/b11-10-,12-8-/t13-/m0/s1
InChIKeyUDJHVRIOQPLELP-SQPSOSRSSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-[(Z)-hept-3-en-4-yl]formamide
CID 55300804
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
(Z)-4,5-dimethylhept-3-ene
CID 142511472
ethane;(Z)-N-[(Z)-pent-2-en-3-yl]hept-3-en-4-amine
CID 142399712
N-methylnonadec-3-en-4-amine
CID 174311135
2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide
CID 142216742
ethane;2-[1-[(Z)-5-(pent-1-en-3-ylamino)oct-5-enyl]iminobutan-2-ylamino]-N'-propylbutanimidamide
CID 142216741
(E,2R)-3-methylhex-3-en-2-amine
CID 146859099
(Z)-N-(1-chloropropyl)pent-2-en-2-amine
CID 155005340
6-methylnon-6-en-4-one
CID 71397409
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
CID 88957287
diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate
CID 24972479

Frequently Asked Questions

What is the IUPAC name of (Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine?
The IUPAC name of (Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine (CID 137384996) is (Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine.
What is the SMILES notation for (Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine?
The canonical SMILES for (Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine is CC/C=C(/CCC)N[C@@H](CC)/C(C)=C\N.
What is the InChIKey of (Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine?
The InChIKey is UDJHVRIOQPLELP-SQPSOSRSSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-8-12(9-6-2)15-13(7-3)11(4)10-14/h8,10,13,15H,5-7,9,14H2,1-4H3/b11-10-,12-8-/t13-/m0/s1.
What are the key properties of (Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine?
(Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-3-N-[(Z)-hept-3-en-4-yl]-2-methylpent-1-ene-1,3-diamine is sourced from PubChem (CID 137384996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).