N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine

C16H32N2O — CID 106873334

IUPACN-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
SMILESCCCCN(CC1CCCN1)C1CCCCC1OC
InChIInChI=1S/C16H32N2O/c1-3-4-12-18(13-14-8-7-11-17-14)15-9-5-6-10-16(15)19-2/h14-17H,3-13H2,1-2H3
InChIKeyAMSZTNWJXGHXTI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds7

About N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine

N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 106873334) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
PubChem CID106873334
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
SMILESCCCCN(CC1CCCN1)C1CCCCC1OC
InChIInChI=1S/C16H32N2O/c1-3-4-12-18(13-14-8-7-11-17-14)15-9-5-6-10-16(15)19-2/h14-17H,3-13H2,1-2H3
InChIKeyAMSZTNWJXGHXTI-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 106605079
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N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604803
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106604774
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine
CID 106616594
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine (CID 106873334) is N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine is CCCCN(CC1CCCN1)C1CCCCC1OC.
What is the InChIKey of N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is AMSZTNWJXGHXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-4-12-18(13-14-8-7-11-17-14)15-9-5-6-10-16(15)19-2/h14-17H,3-13H2,1-2H3.
What are the key properties of N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine?
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 106873334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).