N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine

C17H35N3 — CID 63274438

IUPACN-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)CC1CCN(C)C1
InChIInChI=1S/C17H35N3/c1-4-18-17-9-7-5-6-8-16(17)14-20(3)13-15-10-11-19(2)12-15/h15-18H,4-14H2,1-3H3
InChIKeyYSZJRHVRDJCJBL-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds6

About N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine

N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine (PubChem CID 63274438) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine
PubChem CID63274438
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)CC1CCN(C)C1
InChIInChI=1S/C17H35N3/c1-4-18-17-9-7-5-6-8-16(17)14-20(3)13-15-10-11-19(2)12-15/h15-18H,4-14H2,1-3H3
InChIKeyYSZJRHVRDJCJBL-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55170284
N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63274181
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296
N-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63234425
N-ethyl-2-[[methyl(3-methylbutyl)amino]methyl]cycloheptan-1-amine
CID 62610199
N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-amine
CID 62615233
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2,2-dimethyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 79855131
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
CID 63275645
N'-[[2-(ethylamino)cycloheptyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62611047

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine (CID 63274438) is N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine is CCNC1CCCCCC1CN(C)CC1CCN(C)C1.
What is the InChIKey of N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine?
The InChIKey is YSZJRHVRDJCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-18-17-9-7-5-6-8-16(17)14-20(3)13-15-10-11-19(2)12-15/h15-18H,4-14H2,1-3H3.
What are the key properties of N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine?
N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cycloheptan-1-amine is sourced from PubChem (CID 63274438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).