N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine

C10H17N — CID 58466372

IUPACN-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1=CC=CC1
InChIInChI=1S/C10H17N/c1-10(2,3)11-8-9-6-4-5-7-9/h4-6,11H,7-8H2,1-3H3
InChIKeyYXKOJOFPOQSJHO-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.26
Rot. Bonds2

About N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine

N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine (PubChem CID 58466372) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine
PubChem CID58466372
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1=CC=CC1
InChIInChI=1S/C10H17N/c1-10(2,3)11-8-9-6-4-5-7-9/h4-6,11H,7-8H2,1-3H3
InChIKeyYXKOJOFPOQSJHO-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine (CID 58466372) is N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine is CC(C)(C)NCC1=CC=CC1.
What is the InChIKey of N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine?
The InChIKey is YXKOJOFPOQSJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2,3)11-8-9-6-4-5-7-9/h4-6,11H,7-8H2,1-3H3.
What are the key properties of N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine?
N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 58466372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).