(1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

C16H25N — CID 115057920

IUPAC(1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1ccc2c(c1)C(C(C)(C)C)C(CN)CC2
InChIInChI=1S/C16H25N/c1-11-5-6-12-7-8-13(10-17)15(14(12)9-11)16(2,3)4/h5-6,9,13,15H,7-8,10,17H2,1-4H3
InChIKeyOMIVMQKGRUDUBB-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.65
Rot. Bonds1

About (1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

(1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 115057920) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
PubChem CID115057920
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCc1ccc2c(c1)C(C(C)(C)C)C(CN)CC2
InChIInChI=1S/C16H25N/c1-11-5-6-12-7-8-13(10-17)15(14(12)9-11)16(2,3)4/h5-6,9,13,15H,7-8,10,17H2,1-4H3
InChIKeyOMIVMQKGRUDUBB-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 50988168
7-(aminomethyl)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115057280
2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 83908610
N-methyl-2-(6-methyl-2,3-dihydro-1H-inden-1-yl)propan-2-amine
CID 105455820
(1-cyclopentyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115057908
3-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 19086086
N-cyclopropyl-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 75488646
1-(2,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 83908619
(2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol
CID 143681540
(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 589411
N,2,7-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83907256
2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-4-methylphenol
CID 130889443

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (CID 115057920) is (1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is Cc1ccc2c(c1)C(C(C)(C)C)C(CN)CC2.
What is the InChIKey of (1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is OMIVMQKGRUDUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-5-6-12-7-8-13(10-17)15(14(12)9-11)16(2,3)4/h5-6,9,13,15H,7-8,10,17H2,1-4H3.
What are the key properties of (1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
(1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 231.38 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 115057920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).