N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine

C16H32N2 — CID 113418866

IUPACN-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCCC1CCN(CC2(CNC(C)C)CCCC2)C1
InChIInChI=1S/C16H32N2/c1-4-15-7-10-18(11-15)13-16(8-5-6-9-16)12-17-14(2)3/h14-15,17H,4-13H2,1-3H3
InChIKeyDPJRGTZMOAIICQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds6

About N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine

N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 113418866) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID113418866
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCCC1CCN(CC2(CNC(C)C)CCCC2)C1
InChIInChI=1S/C16H32N2/c1-4-15-7-10-18(11-15)13-16(8-5-6-9-16)12-17-14(2)3/h14-15,17H,4-13H2,1-3H3
InChIKeyDPJRGTZMOAIICQ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628956
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 113418861
N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63494206
N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63619386
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103538890
2-[1-[[4-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 114800043
[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967160
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102967390
1-[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-N-methylmethanamine
CID 64582581
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 171756110
1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine
CID 65010517
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine (CID 113418866) is N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine is CCC1CCN(CC2(CNC(C)C)CCCC2)C1.
What is the InChIKey of N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is DPJRGTZMOAIICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-15-7-10-18(11-15)13-16(8-5-6-9-16)12-17-14(2)3/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 113418866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).