N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline

C13H20N2 — CID 106661084

IUPACN-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline
SMILESCCN(c1cccc(C)c1)C1(CN)CC1
InChIInChI=1S/C13H20N2/c1-3-15(13(10-14)7-8-13)12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10,14H2,1-2H3
InChIKeySEAMCBDUXDKJQO-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.31
Rot. Bonds4

About N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline

N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline (PubChem CID 106661084) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline
PubChem CID106661084
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline
SMILESCCN(c1cccc(C)c1)C1(CN)CC1
InChIInChI=1S/C13H20N2/c1-3-15(13(10-14)7-8-13)12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10,14H2,1-2H3
InChIKeySEAMCBDUXDKJQO-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline
CID 63470782
2-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,3-dihydroinden-2-amine
CID 61076565
3-(aminomethyl)-N-ethyl-N-(3-methylphenyl)-1,1-dioxothian-3-amine
CID 63924429
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine
CID 65088557
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-ethyl-3-methylaniline
CID 65045983
3-(aminomethyl)-N-ethyl-N-(3-fluorophenyl)oxolan-3-amine
CID 63335502
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline
CID 61076731
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146
1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile
CID 82113622
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline
CID 107449072
4-(aminomethyl)-N-methyl-N-(3-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65076221
1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde
CID 62276974

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline?
The IUPAC name of N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline (CID 106661084) is N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline is CCN(c1cccc(C)c1)C1(CN)CC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline?
The InChIKey is SEAMCBDUXDKJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15(13(10-14)7-8-13)12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline?
N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline is sourced from PubChem (CID 106661084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).