N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline

C18H30N2O — CID 63946687

IUPACN-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline
SMILESCCCCC(CC)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H30N2O/c1-3-5-6-17(4-2)19-18-9-7-16(8-10-18)15-20-11-13-21-14-12-20/h7-10,17,19H,3-6,11-15H2,1-2H3
InChIKeyBSRRZQKSNVCACC-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.90
Rot. Bonds8

About N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline

N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline (PubChem CID 63946687) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline
PubChem CID63946687
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline
SMILESCCCCC(CC)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H30N2O/c1-3-5-6-17(4-2)19-18-9-7-16(8-10-18)15-20-11-13-21-14-12-20/h7-10,17,19H,3-6,11-15H2,1-2H3
InChIKeyBSRRZQKSNVCACC-UHFFFAOYSA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
N-[1-(1-methylcyclopropyl)ethyl]-4-(morpholin-4-ylmethyl)aniline
CID 43363279
N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline
CID 115928397
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43684561
4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline
CID 62089964
N-heptan-3-yl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63945872
1-heptan-2-yl-2-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111195588
4-butan-2-yl-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 112773326
2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid
CID 110452254

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline?
The IUPAC name of N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline (CID 63946687) is N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline is CCCCC(CC)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline?
The InChIKey is BSRRZQKSNVCACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-5-6-17(4-2)19-18-9-7-16(8-10-18)15-20-11-13-21-14-12-20/h7-10,17,19H,3-6,11-15H2,1-2H3.
What are the key properties of N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline?
N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline has a molecular weight of 290.45 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-4-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 63946687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).