(Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine

C11H21N — CID 146389117

IUPAC(Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine
SMILESC/C=C(\C(CN)=C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-6-10(8(2)3)11(7-12)9(4)5/h6,8H,7,12H2,1-5H3/b10-6-
InChIKeyKGTVDLNVLFYFRK-POHAHGRESA-N
MW167.30 g/mol
LogP2.88
Rot. Bonds3

About (Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine

(Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine (PubChem CID 146389117) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine
PubChem CID146389117
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine
SMILESC/C=C(\C(CN)=C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-6-10(8(2)3)11(7-12)9(4)5/h6,8H,7,12H2,1-5H3/b10-6-
InChIKeyKGTVDLNVLFYFRK-POHAHGRESA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4,5-dimethylhex-3-en-1-amine
CID 152928892
4-methylpent-2-ene-1,3-diamine
CID 175534446
4-methylpent-2-en-3-amine
CID 72590374
(3E,5Z)-2,4-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 89217781
2-[(E)-1-fluoroprop-1-enyl]-5-methylhex-2-en-1-amine
CID 174062178
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
(E)-4-aminobut-2-en-2-ol
CID 163890736
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
(2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine
CID 89324964
(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
CID 149203613
4-methoxy-3-methylpent-2-en-1-amine
CID 104865208
(3Z,5Z)-3-ethyl-5-propan-2-ylhepta-1,3,5-trien-4-amine
CID 137390509

Frequently Asked Questions

What is the IUPAC name of (Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine?
The IUPAC name of (Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine (CID 146389117) is (Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine.
What is the SMILES notation for (Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine?
The canonical SMILES for (Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine is C/C=C(\C(CN)=C(C)C)C(C)C.
What is the InChIKey of (Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine?
The InChIKey is KGTVDLNVLFYFRK-POHAHGRESA-N. The full InChI is InChI=1S/C11H21N/c1-6-10(8(2)3)11(7-12)9(4)5/h6,8H,7,12H2,1-5H3/b10-6-.
What are the key properties of (Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine?
(Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-propan-2-yl-2-propan-2-ylidenepent-3-en-1-amine is sourced from PubChem (CID 146389117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).