2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline

C18H28N2 — CID 64522590

IUPAC2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline
SMILESCC(C)(C)NCc1ccccc1N(CC1CC1)C1CC1
InChIInChI=1S/C18H28N2/c1-18(2,3)19-12-15-6-4-5-7-17(15)20(16-10-11-16)13-14-8-9-14/h4-7,14,16,19H,8-13H2,1-3H3
InChIKeyRXWVPFVZWBZSBW-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.95
Rot. Bonds6

About 2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline

2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline (PubChem CID 64522590) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline
PubChem CID64522590
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline
SMILESCC(C)(C)NCc1ccccc1N(CC1CC1)C1CC1
InChIInChI=1S/C18H28N2/c1-18(2,3)19-12-15-6-4-5-7-17(15)20(16-10-11-16)13-14-8-9-14/h4-7,14,16,19H,8-13H2,1-3H3
InChIKeyRXWVPFVZWBZSBW-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline (CID 64522590) is 2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline is CC(C)(C)NCc1ccccc1N(CC1CC1)C1CC1.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline?
The InChIKey is RXWVPFVZWBZSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-18(2,3)19-12-15-6-4-5-7-17(15)20(16-10-11-16)13-14-8-9-14/h4-7,14,16,19H,8-13H2,1-3H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline?
2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline has a molecular weight of 272.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)aniline is sourced from PubChem (CID 64522590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).