N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine

C12H22N2 — CID 43394776

IUPACN-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine
SMILESCC(C)N(CCn1cccc1)C(C)C
InChIInChI=1S/C12H22N2/c1-11(2)14(12(3)4)10-9-13-7-5-6-8-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyRSLJGHZDAFNZAO-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.61
Rot. Bonds5

About N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine

N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine (PubChem CID 43394776) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine
PubChem CID43394776
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine
SMILESCC(C)N(CCn1cccc1)C(C)C
InChIInChI=1S/C12H22N2/c1-11(2)14(12(3)4)10-9-13-7-5-6-8-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyRSLJGHZDAFNZAO-UHFFFAOYSA-N
XLogP2.61
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine?
The IUPAC name of N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine (CID 43394776) is N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine is CC(C)N(CCn1cccc1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine?
The InChIKey is RSLJGHZDAFNZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2)14(12(3)4)10-9-13-7-5-6-8-13/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine?
N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2-pyrrol-1-ylethyl)propan-2-amine is sourced from PubChem (CID 43394776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).