N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine

C16H32N2 — CID 79358464

IUPACN-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C16H32N2/c1-12(2)17-9-13-7-8-18(10-13)11-14-15(3,4)16(14,5)6/h12-14,17H,7-11H2,1-6H3
InChIKeySKXAAVFQUFZGEU-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.99
Rot. Bonds5

About N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 79358464) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID79358464
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CC2C(C)(C)C2(C)C)C1
InChIInChI=1S/C16H32N2/c1-12(2)17-9-13-7-8-18(10-13)11-14-15(3,4)16(14,5)6/h12-14,17H,7-11H2,1-6H3
InChIKeySKXAAVFQUFZGEU-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 79358464) is N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(CC2C(C)(C)C2(C)C)C1.
What is the InChIKey of N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is SKXAAVFQUFZGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)17-9-13-7-8-18(10-13)11-14-15(3,4)16(14,5)6/h12-14,17H,7-11H2,1-6H3.
What are the key properties of N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 252.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79358464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).