N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine

C12H23N — CID 139302204

IUPACN-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine
SMILESCCC=C=CN(CC(C)C)C(C)C
InChIInChI=1S/C12H23N/c1-6-7-8-9-13(12(4)5)10-11(2)3/h7,9,11-12H,6,10H2,1-5H3
InChIKeyDNHIMMVZPTYELL-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.43
Rot. Bonds5

About N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine

N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine (PubChem CID 139302204) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine
PubChem CID139302204
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine
SMILESCCC=C=CN(CC(C)C)C(C)C
InChIInChI=1S/C12H23N/c1-6-7-8-9-13(12(4)5)10-11(2)3/h7,9,11-12H,6,10H2,1-5H3
InChIKeyDNHIMMVZPTYELL-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89064702
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CID 91185127
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine?
The IUPAC name of N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine (CID 139302204) is N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine?
The canonical SMILES for N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine is CCC=C=CN(CC(C)C)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine?
The InChIKey is DNHIMMVZPTYELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-7-8-9-13(12(4)5)10-11(2)3/h7,9,11-12H,6,10H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine?
N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-propan-2-ylpenta-1,2-dien-1-amine is sourced from PubChem (CID 139302204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).