N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C13H26N2 — CID 107001513

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC1(C)CC1CNCCCN1CCCC1
InChIInChI=1S/C13H26N2/c1-13(2)10-12(13)11-14-6-5-9-15-7-3-4-8-15/h12,14H,3-11H2,1-2H3
InChIKeyVVKYTIRDAANONP-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds6

About N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 107001513) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID107001513
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC1(C)CC1CNCCCN1CCCC1
InChIInChI=1S/C13H26N2/c1-13(2)10-12(13)11-14-6-5-9-15-7-3-4-8-15/h12,14H,3-11H2,1-2H3
InChIKeyVVKYTIRDAANONP-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 107178393
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961368
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopropan-1-amine
CID 107911542
3-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636609
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431
N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 58858763
N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 107001471
4-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532798
N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 62069634

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 107001513) is N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is CC1(C)CC1CNCCCN1CCCC1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is VVKYTIRDAANONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2)10-12(13)11-14-6-5-9-15-7-3-4-8-15/h12,14H,3-11H2,1-2H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 107001513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).