N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine

C16H27N — CID 15514429

IUPACN-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine
SMILESCC(C)=C1C=CC(CCN(C(C)C)C(C)C)=C1
InChIInChI=1S/C16H27N/c1-12(2)16-8-7-15(11-16)9-10-17(13(3)4)14(5)6/h7-8,11,13-14H,9-10H2,1-6H3
InChIKeyXKFUTHMOPQZRKZ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.33
Rot. Bonds5

About N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine

N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine (PubChem CID 15514429) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine
PubChem CID15514429
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine
SMILESCC(C)=C1C=CC(CCN(C(C)C)C(C)C)=C1
InChIInChI=1S/C16H27N/c1-12(2)16-8-7-15(11-16)9-10-17(13(3)4)14(5)6/h7-8,11,13-14H,9-10H2,1-6H3
InChIKeyXKFUTHMOPQZRKZ-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine (CID 15514429) is N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine is CC(C)=C1C=CC(CCN(C(C)C)C(C)C)=C1.
What is the InChIKey of N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine?
The InChIKey is XKFUTHMOPQZRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)16-8-7-15(11-16)9-10-17(13(3)4)14(5)6/h7-8,11,13-14H,9-10H2,1-6H3.
What are the key properties of N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine?
N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 15514429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).