N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine

C16H33N3 — CID 55158009

IUPACN,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2CCCCCC2NC)C1
InChIInChI=1S/C16H33N3/c1-4-18(5-2)14-11-12-19(13-14)16-10-8-6-7-9-15(16)17-3/h14-17H,4-13H2,1-3H3
InChIKeyGGBOKYSJGKIVRU-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds5

About N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine

N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine (PubChem CID 55158009) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine
PubChem CID55158009
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2CCCCCC2NC)C1
InChIInChI=1S/C16H33N3/c1-4-18(5-2)14-11-12-19(13-14)16-10-8-6-7-9-15(16)17-3/h14-17H,4-13H2,1-3H3
InChIKeyGGBOKYSJGKIVRU-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[2-(ethylamino)cyclohexyl]pyrrolidin-3-amine
CID 63169941
1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine
CID 63169813
1-[3,3-dimethyl-2-(methylamino)cyclohexyl]-N,N-diethylpyrrolidin-3-amine
CID 79828376
1-(2-aminocyclopentyl)-N,N-diethylpyrrolidin-3-amine
CID 63164633
trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
CID 70351898
N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63467436
2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine
CID 63609321
2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
CID 63466542
N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine
CID 79175318
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methylcycloheptan-1-amine
CID 113335649
2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine
CID 55032625
2-[4-(methoxymethyl)piperidin-1-yl]-N-methylcyclooctan-1-amine
CID 63971324

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine (CID 55158009) is N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine is CCN(CC)C1CCN(C2CCCCCC2NC)C1.
What is the InChIKey of N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine?
The InChIKey is GGBOKYSJGKIVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-18(5-2)14-11-12-19(13-14)16-10-8-6-7-9-15(16)17-3/h14-17H,4-13H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine?
N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine is sourced from PubChem (CID 55158009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).