N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine

C10H20N2 — CID 123512418

IUPACN-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine
SMILESCC/C=C\C(C)=NCNC(C)C
InChIInChI=1S/C10H20N2/c1-5-6-7-10(4)12-8-11-9(2)3/h6-7,9,11H,5,8H2,1-4H3/b7-6-,12-10?
InChIKeyUPRQALBAXONVRW-GOPNFDFDSA-N
MW168.28 g/mol
LogP2.37
Rot. Bonds5

About N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine

N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine (PubChem CID 123512418) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine
PubChem CID123512418
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine
SMILESCC/C=C\C(C)=NCNC(C)C
InChIInChI=1S/C10H20N2/c1-5-6-7-10(4)12-8-11-9(2)3/h6-7,9,11H,5,8H2,1-4H3/b7-6-,12-10?
InChIKeyUPRQALBAXONVRW-GOPNFDFDSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-propan-2-yl-1-[(E)-[(E)-1,1,1-trifluorohept-3-en-2-ylidene]amino]prop-1-en-1-amine
CID 176704958
N-ethyl-4-ethyliminocyclohexa-2,5-dien-1-amine
CID 118199222
2,6-dimethyl-4-[(E)-prop-1-enyl]-1,2-dihydropyrimidine
CID 118281579
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propan-2-ylbut-3-en-1-amine
CID 121330082
N-methyl-1-[[(Z)-3-methylhex-3-en-2-ylidene]amino]propan-1-amine
CID 123417226
N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine
CID 123475839
N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine
CID 123985656
(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine
CID 129043125
(E)-N-ethyl-5-iminohex-3-en-1-amine
CID 129045484
N-(2,3-dihydropyridin-6-ylmethyl)propan-2-amine
CID 129045737
N-[(2-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine
CID 132235563
4-ethenyl-N,7-dimethyl-1,7-dihydro-1,3-diazepin-2-imine
CID 137103485

Frequently Asked Questions

What is the IUPAC name of N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine?
The IUPAC name of N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine (CID 123512418) is N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine.
What is the SMILES notation for N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine?
The canonical SMILES for N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine is CC/C=C\C(C)=NCNC(C)C.
What is the InChIKey of N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine?
The InChIKey is UPRQALBAXONVRW-GOPNFDFDSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-7-10(4)12-8-11-9(2)3/h6-7,9,11H,5,8H2,1-4H3/b7-6-,12-10?.
What are the key properties of N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine?
N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine has a molecular weight of 168.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[(Z)-hex-3-en-2-ylidene]amino]methyl]propan-2-amine is sourced from PubChem (CID 123512418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).