N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine

C16H30N4 — CID 83159712

IUPACN-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1ncnc1CC(C)(CNC(C)(C)C)C1CC1
InChIInChI=1S/C16H30N4/c1-6-9-20-14(17-12-19-20)10-16(5,13-7-8-13)11-18-15(2,3)4/h12-13,18H,6-11H2,1-5H3
InChIKeyRNICJJXGQXJVBC-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.04
Rot. Bonds7

About N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine

N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 83159712) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID83159712
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1ncnc1CC(C)(CNC(C)(C)C)C1CC1
InChIInChI=1S/C16H30N4/c1-6-9-20-14(17-12-19-20)10-16(5,13-7-8-13)11-18-15(2,3)4/h12-13,18H,6-11H2,1-5H3
InChIKeyRNICJJXGQXJVBC-UHFFFAOYSA-N
XLogP3.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
CID 83150659
N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 83159530
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398
3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 116558471
2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 80557324
N-tert-butyl-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79593237
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83160366
N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 126810614
2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)heptan-2-ol
CID 80557998
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053545
2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine
CID 102641469
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine (CID 83159712) is N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine is CCCn1ncnc1CC(C)(CNC(C)(C)C)C1CC1.
What is the InChIKey of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is RNICJJXGQXJVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-9-20-14(17-12-19-20)10-16(5,13-7-8-13)11-18-15(2,3)4/h12-13,18H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 83159712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).