N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine

C13H26N2 — CID 86323570

IUPACN-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
SMILESCCN(C[C@H]1CCNC1)C1CCCCC1
InChIInChI=1S/C13H26N2/c1-2-15(11-12-8-9-14-10-12)13-6-4-3-5-7-13/h12-14H,2-11H2,1H3/t12-/m0/s1
InChIKeyCFXPAJNJKWJZCR-LBPRGKRZSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds4

About N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine

N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine (PubChem CID 86323570) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
PubChem CID86323570
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
SMILESCCN(C[C@H]1CCNC1)C1CCCCC1
InChIInChI=1S/C13H26N2/c1-2-15(11-12-8-9-14-10-12)13-6-4-3-5-7-13/h12-14H,2-11H2,1H3/t12-/m0/s1
InChIKeyCFXPAJNJKWJZCR-LBPRGKRZSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
N-(cycloheptylmethyl)-N-ethylazetidin-3-amine
CID 66181850
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
CID 79715823
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624584
N-ethyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624585
N-ethyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449593
N,N-diethylcycloundecanamine
CID 163828609
1-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)methanamine
CID 62860068

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine?
The IUPAC name of N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine (CID 86323570) is N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine?
The canonical SMILES for N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine is CCN(C[C@H]1CCNC1)C1CCCCC1.
What is the InChIKey of N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine?
The InChIKey is CFXPAJNJKWJZCR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-15(11-12-8-9-14-10-12)13-6-4-3-5-7-13/h12-14H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine?
N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine is sourced from PubChem (CID 86323570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).