N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine

C16H33NO — CID 65091022

IUPACN-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCCCCOCCNC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H33NO/c1-4-5-12-18-13-11-17-16-8-6-7-15(9-10-16)14(2)3/h14-17H,4-13H2,1-3H3
InChIKeyUVYPOJBVHRULET-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds8

About N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine

N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091022) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091022
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCCCCOCCNC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H33NO/c1-4-5-12-18-13-11-17-16-8-6-7-15(9-10-16)14(2)3/h14-17H,4-13H2,1-3H3
InChIKeyUVYPOJBVHRULET-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-(3-butoxypropyl)cyclopropanamine
CID 62450977
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
2-[2-[(4-propan-2-ylcyclohexyl)amino]ethoxy]acetamide
CID 106236541
N-(2-heptoxyethyl)-4-methylcyclohexan-1-amine
CID 55195526
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
N-(2-butoxyethyl)-1-ethylazepan-4-amine
CID 65073819
N-pentyl-3-propan-2-ylcyclohexan-1-amine
CID 107447748
N-(2-butoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 61170865
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine (CID 65091022) is N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine is CCCCOCCNC1CCCC(C(C)C)CC1.
What is the InChIKey of N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is UVYPOJBVHRULET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-5-12-18-13-11-17-16-8-6-7-15(9-10-16)14(2)3/h14-17H,4-13H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine?
N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).