ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine

C14H32N2 — CID 142076932

IUPACethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine
SMILESC/C=C\C(C)=C/N.CC.CCCC(C)CN
InChIInChI=1S/C6H15N.C6H11N.C2H6/c2*1-3-4-6(2)5-7;1-2/h6H,3-5,7H2,1-2H3;3-5H,7H2,1-2H3;1-2H3/b;4-3-,6-5-;
InChIKeyPVDWFPGWWFPMDD-SAXVSKPSSA-N
MW228.42 g/mol
LogP3.83
Rot. Bonds4

About ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine

ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine (PubChem CID 142076932) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine.

Molecular Properties

Compound Nameethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine
PubChem CID142076932
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nameethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine
SMILESC/C=C\C(C)=C/N.CC.CCCC(C)CN
InChIInChI=1S/C6H15N.C6H11N.C2H6/c2*1-3-4-6(2)5-7;1-2/h6H,3-5,7H2,1-2H3;3-5H,7H2,1-2H3;1-2H3/b;4-3-,6-5-;
InChIKeyPVDWFPGWWFPMDD-SAXVSKPSSA-N
XLogP3.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-2,5-dimethylhexa-1,3-dien-1-amine;ethane
CID 145443397
ethane;4-methylheptan-2-one
CID 142986053
ethane;(2Z,4Z)-4-methylocta-2,4-diene
CID 176669998
5-methyl-3-propan-2-yloct-2-ene
CID 123290549
(E,2S)-2,6-dimethyloct-6-en-1-amine
CID 134214443
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
4-methylheptane
CID 11512
4-methylheptane
CID 91413347
5-ethylidene-3,7-dimethyldecane
CID 91539867
2-methylnonan-1-amine
CID 21396878
2-methyltricosan-1-amine
CID 87547792
4-methylhepta-3,5-dien-2-amine
CID 123570929

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine?
The IUPAC name of ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine (CID 142076932) is ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine.
What is the SMILES notation for ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine?
The canonical SMILES for ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine is C/C=C\C(C)=C/N.CC.CCCC(C)CN.
What is the InChIKey of ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine?
The InChIKey is PVDWFPGWWFPMDD-SAXVSKPSSA-N. The full InChI is InChI=1S/C6H15N.C6H11N.C2H6/c2*1-3-4-6(2)5-7;1-2/h6H,3-5,7H2,1-2H3;3-5H,7H2,1-2H3;1-2H3/b;4-3-,6-5-;.
What are the key properties of ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine?
ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine has a molecular weight of 228.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,3Z)-2-methylpenta-1,3-dien-1-amine;2-methylpentan-1-amine is sourced from PubChem (CID 142076932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).