N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline

C17H28N2 — CID 112677945

IUPACN-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
SMILESCCCNC(CC)c1ccccc1N(C)CC1CC1
InChIInChI=1S/C17H28N2/c1-4-12-18-16(5-2)15-8-6-7-9-17(15)19(3)13-14-10-11-14/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyRIHAKSSFOPODER-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.98
Rot. Bonds8

About N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline

N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline (PubChem CID 112677945) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
PubChem CID112677945
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
SMILESCCCNC(CC)c1ccccc1N(C)CC1CC1
InChIInChI=1S/C17H28N2/c1-4-12-18-16(5-2)15-8-6-7-9-17(15)19(3)13-14-10-11-14/h6-9,14,16,18H,4-5,10-13H2,1-3H3
InChIKeyRIHAKSSFOPODER-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
CID 115995247
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
N-cyclopropyl-N-ethyl-2-[1-(propylamino)propyl]aniline
CID 112677823
N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677858
N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 115995187
N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline
CID 115995349
N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
CID 115994862
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(propylamino)propyl]aniline
CID 115995005
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584248
2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 115994967
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline (CID 112677945) is N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline is CCCNC(CC)c1ccccc1N(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline?
The InChIKey is RIHAKSSFOPODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-12-18-16(5-2)15-8-6-7-9-17(15)19(3)13-14-10-11-14/h6-9,14,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline?
N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline is sourced from PubChem (CID 112677945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).