N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline

C19H32N2 — CID 43684561

IUPACN-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCCC(C)CC(CC)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H32N2/c1-4-16(3)14-18(5-2)20-19-10-8-17(9-11-19)15-21-12-6-7-13-21/h8-11,16,18,20H,4-7,12-15H2,1-3H3
InChIKeyUWNBYNNYWBDMFZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.91
Rot. Bonds8

About N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline

N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 43684561) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline
PubChem CID43684561
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCCC(C)CC(CC)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H32N2/c1-4-16(3)14-18(5-2)20-19-10-8-17(9-11-19)15-21-12-6-7-13-21/h8-11,16,18,20H,4-7,12-15H2,1-3H3
InChIKeyUWNBYNNYWBDMFZ-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(5-methylheptan-3-yl)aniline
CID 43109712
N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 102868409
methyl 2-[4-(pyrrolidin-1-ylmethyl)anilino]butanoate
CID 115352542
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
N-(5-methylheptan-3-yl)-4-phenylaniline
CID 43716868
1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine
CID 83961012
N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline
CID 63946687
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 155707430
(2R)-2-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 124510585

Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline (CID 43684561) is N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline is CCC(C)CC(CC)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is UWNBYNNYWBDMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-16(3)14-18(5-2)20-19-10-8-17(9-11-19)15-21-12-6-7-13-21/h8-11,16,18,20H,4-7,12-15H2,1-3H3.
What are the key properties of N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline?
N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 288.48 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 43684561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).