4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline

C19H32N2 — CID 63550613

IUPAC4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CNC(C)(C)C)cc1C
InChIInChI=1S/C19H32N2/c1-6-11-21(14-16-7-8-16)18-10-9-17(12-15(18)2)13-20-19(3,4)5/h9-10,12,16,20H,6-8,11,13-14H2,1-5H3
InChIKeyQIACLNCMSZMHKZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.51
Rot. Bonds7

About 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline

4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline (PubChem CID 63550613) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline
PubChem CID63550613
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CNC(C)(C)C)cc1C
InChIInChI=1S/C19H32N2/c1-6-11-21(14-16-7-8-16)18-10-9-17(12-15(18)2)13-20-19(3,4)5/h9-10,12,16,20H,6-8,11,13-14H2,1-5H3
InChIKeyQIACLNCMSZMHKZ-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline (CID 63550613) is 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline is CCCN(CC1CC1)c1ccc(CNC(C)(C)C)cc1C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline?
The InChIKey is QIACLNCMSZMHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-11-21(14-16-7-8-16)18-10-9-17(12-15(18)2)13-20-19(3,4)5/h9-10,12,16,20H,6-8,11,13-14H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline?
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline is sourced from PubChem (CID 63550613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).