N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine

C19H34N2 — CID 63492555

IUPACN-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine
SMILESCCCCN(Cc1cccc(CNC(C)C)c1)C(C)CC
InChIInChI=1S/C19H34N2/c1-6-8-12-21(17(5)7-2)15-19-11-9-10-18(13-19)14-20-16(3)4/h9-11,13,16-17,20H,6-8,12,14-15H2,1-5H3
InChIKeyCWXSAHOJIOCKTJ-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.59
Rot. Bonds10

About N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine

N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine (PubChem CID 63492555) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine
PubChem CID63492555
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine
SMILESCCCCN(Cc1cccc(CNC(C)C)c1)C(C)CC
InChIInChI=1S/C19H34N2/c1-6-8-12-21(17(5)7-2)15-19-11-9-10-18(13-19)14-20-16(3)4/h9-11,13,16-17,20H,6-8,12,14-15H2,1-5H3
InChIKeyCWXSAHOJIOCKTJ-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine?
The IUPAC name of N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine (CID 63492555) is N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine?
The canonical SMILES for N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine is CCCCN(Cc1cccc(CNC(C)C)c1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine?
The InChIKey is CWXSAHOJIOCKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-8-12-21(17(5)7-2)15-19-11-9-10-18(13-19)14-20-16(3)4/h9-11,13,16-17,20H,6-8,12,14-15H2,1-5H3.
What are the key properties of N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine?
N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine has a molecular weight of 290.50 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine is sourced from PubChem (CID 63492555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).