N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine

C13H21N — CID 14891014

IUPACN-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine
SMILESCC=C=CCN(CC=C=CC)C(C)C
InChIInChI=1S/C13H21N/c1-5-7-9-11-14(13(3)4)12-10-8-6-2/h5-6,9-10,13H,11-12H2,1-4H3
InChIKeyHKNVMOUOYLXWDH-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.16
Rot. Bonds5

About N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine

N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine (PubChem CID 14891014) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine.

Molecular Properties

Compound NameN-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine
PubChem CID14891014
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine
SMILESCC=C=CCN(CC=C=CC)C(C)C
InChIInChI=1S/C13H21N/c1-5-7-9-11-14(13(3)4)12-10-8-6-2/h5-6,9-10,13H,11-12H2,1-4H3
InChIKeyHKNVMOUOYLXWDH-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine?
The IUPAC name of N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine (CID 14891014) is N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine.
What is the SMILES notation for N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine?
The canonical SMILES for N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine is CC=C=CCN(CC=C=CC)C(C)C.
What is the InChIKey of N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine?
The InChIKey is HKNVMOUOYLXWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-7-9-11-14(13(3)4)12-10-8-6-2/h5-6,9-10,13H,11-12H2,1-4H3.
What are the key properties of N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine?
N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-2,3-dienyl-N-propan-2-ylpenta-2,3-dien-1-amine is sourced from PubChem (CID 14891014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).